7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

C10H7F2N5O — CID 137253144

IUPAC7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1ccn2-c1cnn(C(F)F)c1
InChIInChI=1S/C10H7F2N5O/c11-10(12)17-4-6(3-15-17)16-2-1-7-8(16)13-5-14-9(7)18/h1-5,10H,(H,13,14,18)
InChIKeyCXWQEPPLRPMFAX-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.31
Rot. Bonds2

About 7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137253144) has the molecular formula C10H7F2N5O and a molecular weight of 251.20 g/mol. Its IUPAC name is 7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137253144
Molecular FormulaC10H7F2N5O
Molecular Weight251.20 g/mol
Exact Mass251.06
IUPAC Name7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1ccn2-c1cnn(C(F)F)c1
InChIInChI=1S/C10H7F2N5O/c11-10(12)17-4-6(3-15-17)16-2-1-7-8(16)13-5-14-9(7)18/h1-5,10H,(H,13,14,18)
InChIKeyCXWQEPPLRPMFAX-UHFFFAOYSA-N
XLogP1.31
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137049832
2-[4-[3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carbonyl]-5-methylpyrazol-1-yl]-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137049838
2-[5-Methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137128241
7-ethyl-2-[5-methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137049776
2-[4-[3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carbonyl]-5-methylpyrazol-1-yl]-7-ethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137128002
2-[4-(4,4-difluoropiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137128198
2-[4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 137310619
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 156823573
1-pyrazin-2-yl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 45256979
1-methyl-5-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 47150749
2-[4-(4,4-difluoropiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-7-ethyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 147461588
N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 156823358

Frequently Asked Questions

What is the IUPAC name of 7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 137253144) is 7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1ccn2-c1cnn(C(F)F)c1.
What is the InChIKey of 7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is CXWQEPPLRPMFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N5O/c11-10(12)17-4-6(3-15-17)16-2-1-7-8(16)13-5-14-9(7)18/h1-5,10H,(H,13,14,18).
What are the key properties of 7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 251.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(difluoromethyl)pyrazol-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137253144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).